SCHEMBL12848441

SCHEMBL12848441

Cc1cc(Nc2nc(Nc3ccc(N=Nc4ccc(S(=O)(=O)O)cc4)cc3S(=O)(=O)O)nc(NC(C)S(=O)(=O)O)n2)ccc1N=Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATIC P31939 3/20 0.48
▸ SENP2 Q9HC62 3/20 0.48
▸ SUMO2 P61956 2/20 0.48
▸ SUMO1 P63165 2/20 0.48
▸ SENP7 Q9BQF6 2/20 0.48
▸ ENPP2 Q13822 5/20 0.40
▸ CHAT P28329 4/20 0.37
▸ USP2 O75604 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ CD40 P25942 1/20 0.36
▸ CD40LG P29965 1/20 0.36
▸ FUT8 Q9BYC5 1/20 0.35
▸ SENP1 Q9P0U3 2/20 0.35
▸ SENP3 Q9H4L4 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ENPP3 O14638 1/20 0.35
▸ ENPP1 P22413 1/20 0.35
▸ PTPRC P08575 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11893167 0.93 CHAT (0.41) ATICSENP2SUMO2SUMO1SENP7
SCHEMBL13151875 0.90 ATIC (0.51) ATICSENP2SUMO2SUMO1SENP7
SCHEMBL13151926 0.90 ATIC (0.51) ATICSENP2SUMO2SUMO1SENP7
SCHEMBL13152025 0.86 ATIC (0.50) ATICSENP2SUMO2SUMO1SENP7
SCHEMBL12848431 0.85 ATIC (0.38) ATICSENP2SUMO2SUMO1SENP7
SCHEMBL13219293 0.85 SENP2 (0.40) ATICSENP2SUMO2SUMO1SENP7
SCHEMBL11893246 0.84 CHAT (0.45) ATICSENP2SUMO2SUMO1SENP7
SCHEMBL11893166 0.83 CA1 (0.44) ATICSENP2SUMO2SUMO1SENP7
SCHEMBL11893241 0.83 CHAT (0.40) ATICSENP2SUMO2SUMO1SENP7
SCHEMBL12848394 0.82 CHAT (0.41) SENP2SUMO2SUMO1SENP7ENPP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110052885-A1 WATER SOLUBLE AZO COMPOUND OR SALT THEREOF, INK COMPOSITION AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-03-03 — — US disclosed
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